CID 638639

1-phenyl-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)
InChIKey
IYBINJWRHRKLTJ-UHFFFAOYSA-N
Compound name
1-phenyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

190.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 140.3
[M+Na]+ 213.06345 147.5
[M-H]- 189.06695 142.6
[M+NH4]+ 208.10805 156.1
[M+K]+ 229.03739 143.8
[M+H-H2O]+ 173.07149 132.2
[M+HCOO]- 235.07243 158.3
[M+CH3COO]- 249.08808 178.5
[M+Na-2H]- 211.04890 145.6
[M]+ 190.07368 135.0
[M]- 190.07478 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe